N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide

C15H12N2OS2 — CID 2738828

IUPACN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESO=C(NCc1csc(-c2cccs2)n1)c1ccccc1
InChIInChI=1S/C15H12N2OS2/c18-14(11-5-2-1-3-6-11)16-9-12-10-20-15(17-12)13-7-4-8-19-13/h1-8,10H,9H2,(H,16,18)
InChIKeyLZFPRHTWKAARHI-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.80
Rot. Bonds4

About N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 2738828) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID2738828
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESO=C(NCc1csc(-c2cccs2)n1)c1ccccc1
InChIInChI=1S/C15H12N2OS2/c18-14(11-5-2-1-3-6-11)16-9-12-10-20-15(17-12)13-7-4-8-19-13/h1-8,10H,9H2,(H,16,18)
InChIKeyLZFPRHTWKAARHI-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 2738828) is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide is O=C(NCc1csc(-c2cccs2)n1)c1ccccc1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is LZFPRHTWKAARHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c18-14(11-5-2-1-3-6-11)16-9-12-10-20-15(17-12)13-7-4-8-19-13/h1-8,10H,9H2,(H,16,18).
What are the key properties of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 300.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 2738828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).